3 ready=`grep General\ timing $1/OUTCAR | awk '{ print $1 }'`
5 if [ "$ready" = "General" ]; then
6 echo "$i seems to be finisched ..."
8 e=`./e_form_tersoff plain_si_2333_nosym_sp plain_sic_2333_nosym_sp $1 | grep M2 | \
13 r=`echo $e $ec100 $ec100 | awk '{ print $1-$2-$3 }'`
17 r=`echo $e $ec100 $ec110 | awk '{ print $1-$2-$3 }'`
21 r=`echo $e $ec100 $ecsub | awk '{ print $1-$2-$3 }'`
25 r=`echo $e $ec100 $ecbc | awk '{ print $1-$2-$3 }'`
29 r=`echo $e $ec100 $esvac | awk '{ print $1-$2-$3 }'`
33 r=`echo $e $ec100 $es110 | awk '{ print $1-$2-$3 }'`
37 r=`echo $e $ec100 $estet | awk '{ print $1-$2-$3 }'`
41 r=`echo $e $ec100 $eshex | awk '{ print $1-$2-$3 }'`
44 r=`echo $e $es110 $ecsub | awk '{ print $1-$2-$3 }'`
45 echo "Si 110 and C sub: $r"
47 r=`echo $e $estet $ecsub | awk '{ print $1-$2-$3 }'`
48 echo "Si tet and C sub: $r"
51 echo "$i not yet finished ..."